Publications by authors named "Ehsan Shakerzadeh"

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Tunable third-harmonic generation in black phosphorus nanoribbon in the terahertz frequency.
Zeinab Zanbouri, Mohammad Sabaeian, Ehsan Shakerzadeh

Opt Express· August 2025

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Exploring tiopronin adsorption on pristine and Al/Ga-doped boron nitride nanoclusters: A DFT approach for enhanced drug delivery.
Ebtesam Khodayar, Behnaz Abyaz, Morteza Zare, Ehsan Shakerzadeh, Ernesto Chigo Anota

J Mol Graph Model· June 2025

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Understanding the Interaction Mechanism between the Epinephrine Neurotransmitter and Small Gold Nanoclusters (Au; = 6, 8, and 10): A Computational Insight.
Nagendra Prasad Yadav, Tarun Yadav, Sangram Pattanaik, Ehsan Shakerzadeh, Subhendu Chakroborty

ACS Omega· January 2024

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Exploring the potential use of Fe-decorated B borospherene as a prospective catalyst for oxidation of methane to methanol.
Hosein Hamadi, Ehsan Shakerzadeh, Mehdi D Esrafili

J Mol Graph Model· January 2023

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Ng (Ng= Ne, Ar, Kr, Xe, and Rn; n=1, 2) encapsulated porphyrin-like porous CN fullerene: A quantum chemical study.
Hadi Parsa, Ehsan Shakerzadeh, Ernesto Chigo Anota

J Mol Graph Model· November 2021

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The teetotum cluster LiFeB and its possible use for constructing boron nanowires.
Ehsan Shakerzadeh, Long Van Duong, My Phuong Pham-Ho, Elham Tahmasebi, Minh Tho Nguyen

Phys Chem Chem Phys· July 2020

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The scandium doped boron cluster BSc: a fruit can-like structure.
Ehsan Shakerzadeh, Long Van Duong, Elham Tahmasebi, Minh Tho Nguyen

Phys Chem Chem Phys· April 2019

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Shannon entropy as a new measure of aromaticity, Shannon aromaticity.
Siamak Noorizadeh, Ehsan Shakerzadeh

Phys Chem Chem Phys· May 2010

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A new scale of electronegativity based on electrophilicity index.
Siamak Noorizadeh, Ehsan Shakerzadeh

J Phys Chem A· April 2008

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